(2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C21H16N8O — CID 139468626

IUPAC(2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3cnccc3-c3cn[nH]c3)nc(N)c2cn1
InChIInChI=1S/C21H16N8O/c22-6-12-3-15(12)21(30)29-19-5-11-4-18(28-20(23)16(11)10-25-19)17-9-24-2-1-14(17)13-7-26-27-8-13/h1-2,4-5,7-10,12,15H,3H2,(H2,23,28)(H,26,27)(H,25,29,30)/t12-,15?/m0/s1
InChIKeyFEYINKHCVYSUIF-SFVWDYPZSA-N
MW396.41 g/mol
LogP2.76
Rot. Bonds4

About (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

(2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 139468626) has the molecular formula C21H16N8O and a molecular weight of 396.41 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID139468626
Molecular FormulaC21H16N8O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name(2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3cnccc3-c3cn[nH]c3)nc(N)c2cn1
InChIInChI=1S/C21H16N8O/c22-6-12-3-15(12)21(30)29-19-5-11-4-18(28-20(23)16(11)10-25-19)17-9-24-2-1-14(17)13-7-26-27-8-13/h1-2,4-5,7-10,12,15H,3H2,(H2,23,28)(H,26,27)(H,25,29,30)/t12-,15?/m0/s1
InChIKeyFEYINKHCVYSUIF-SFVWDYPZSA-N
XLogP2.76
TPSA146.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 139468626) is (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is N#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3cnccc3-c3cn[nH]c3)nc(N)c2cn1.
What is the InChIKey of (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is FEYINKHCVYSUIF-SFVWDYPZSA-N. The full InChI is InChI=1S/C21H16N8O/c22-6-12-3-15(12)21(30)29-19-5-11-4-18(28-20(23)16(11)10-25-19)17-9-24-2-1-14(17)13-7-26-27-8-13/h1-2,4-5,7-10,12,15H,3H2,(H2,23,28)(H,26,27)(H,25,29,30)/t12-,15?/m0/s1.
What are the key properties of (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
(2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[8-amino-6-[4-(1H-pyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 139468626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).